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Benzenamine,2-(2-methoxyphenoxy)-5-(trifluoromethyl)-

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  • Name Benzenamine,2-(2-methoxyphenoxy)-5-(trifluoromethyl)-
  • EINECSN/A
  • CAS No. 175135-08-7
  • Density1.288g/cm3
  • PSA44.48000
  • LogP4.66970
  • SolubilityN/A
  • Melting Point28 °C
  • FormulaC14H12F3NO2
  • Boiling Point332 °C at 760 mmHg
  • Molecular Weight283.25
  • Flash Point154.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 175135-08-7 (3-AMINO-4-(2-METHOXYPHENOXY)BENZOTRIFLUORIDE)
  • Hazard SymbolsXi
  • SynonymsXi

Benzenamine,2-(2-methoxyphenoxy)-5-(trifluoromethyl)- Specification

The Benzenamine,2-(2-methoxyphenoxy)-5-(trifluoromethyl)-, with CAS registry number 175135-08-7, has the systematic name of 2-(2-methoxyphenoxy)-5-(trifluoromethyl)aniline. Besides this, it is also called 3-Amino-4-(2-methoxyphenoxy)benzotrifluoride. And the chemical formula of this chemical is C14H12F3NO2.

Physical properties of Benzenamine,2-(2-methoxyphenoxy)-5-(trifluoromethyl)-: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.1; (6)ACD/BCF (pH 7.4): 31.24; (7)ACD/KOC (pH 5.5): 407.01; (8)ACD/KOC (pH 7.4): 408.82; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 68.59 cm3; (15)Molar Volume: 219.8 cm3; (16)Polarizability: 27.19×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 154.6 °C; (20)Enthalpy of Vaporization: 57.47 kJ/mol; (21)Boiling Point: 332 °C at 760 mmHg; (22)Vapour Pressure: 0.00015 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc(Oc1ccccc1OC)c(N)c2
(2)InChI: InChI=1/C14H12F3NO2/c1-19-12-4-2-3-5-13(12)20-11-7-6-9(8-10(11)18)14(15,16)17/h2-8H,18H2,1H3
(3)InChIKey: PYNDGRAUAXTKAO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H12F3NO2/c1-19-12-4-2-3-5-13(12)20-11-7-6-9(8-10(11)18)14(15,16)17/h2-8H,18H2,1H3
(5)Std. InChIKey: PYNDGRAUAXTKAO-UHFFFAOYSA-N

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